| SpectraBase Spectrum ID |
6S4WhZj1hu7 |
| Name |
(6aR,9R,10aR)-3-(1-Hexyl-cyclobut-1-yl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 Diol |
| Appearance |
Glassy substance |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O3 |
| InChI |
InChI=1S/C25H38O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,18-20,26-27H,4-13,16H2,1-3H3/t18-,19-,20-/m1/s1 |
| InChIKey |
CSXKNESDVLECTJ-VAMGGRTRSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm100641g |
| Molecular Weight |
386.576 g/mol |
| SMILES |
Oc1c2[C@]3([C@@](CC[C@](C3)(O)[H])(C(Oc2cc(c1)C1(CCCCCC)CCC1)(C)C)[H])[H] |
| SPLASH |
splash10-000i-0029000000-2336ec81065581bbe0e8 |
| Source of Spectrum |
AF-53-7004-7e-.beta. |
| Thin-Layer Chromatography |
Rf = 0.25 (AcOEt/hexane, 3:97) |
| Wiley ID |
1846306 |
![(6aR,9R,10aR)-3-(1-Hexyl-cyclobut-1-yl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 Diol](/api/spectrum/6S4WhZj1hu7/structure.png?h=300&w=458 "(6aR,9R,10aR)-3-(1-Hexyl-cyclobut-1-yl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9 Diol")
